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Article: Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations

TitleStructures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations
Authors
Issue Date2018
Citation
Journal of Applied Physics, 2018, v. 124, n. 7, article no. 073901 How to Cite?
AbstractWe performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies within 50 meV/atom (11 of them are within 20 meV) above the convex hull formed by experimentally known stable structures are predicted. Magnetic properties of these low-energy structures are investigated. Some of these structures can be promising candidates for rare-earth-free permanent magnet.
Persistent Identifierhttp://hdl.handle.net/10722/319047
ISSN
2023 Impact Factor: 2.7
2023 SCImago Journal Rankings: 0.649
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorYang, Zejin-
dc.contributor.authorWu, Shunqing-
dc.contributor.authorZhao, Xin-
dc.contributor.authorNguyen, Manh Cuong-
dc.contributor.authorYu, Shu-
dc.contributor.authorWen, Tongqi-
dc.contributor.authorTang, Ling-
dc.contributor.authorLi, Fuxiang-
dc.contributor.authorHo, Kai Ming-
dc.contributor.authorWang, Cai Zhuang-
dc.date.accessioned2022-10-11T12:25:09Z-
dc.date.available2022-10-11T12:25:09Z-
dc.date.issued2018-
dc.identifier.citationJournal of Applied Physics, 2018, v. 124, n. 7, article no. 073901-
dc.identifier.issn0021-8979-
dc.identifier.urihttp://hdl.handle.net/10722/319047-
dc.description.abstractWe performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive genetic algorithm. 36 structures with formation energies within 50 meV/atom (11 of them are within 20 meV) above the convex hull formed by experimentally known stable structures are predicted. Magnetic properties of these low-energy structures are investigated. Some of these structures can be promising candidates for rare-earth-free permanent magnet.-
dc.languageeng-
dc.relation.ispartofJournal of Applied Physics-
dc.titleStructures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1063/1.5036992-
dc.identifier.scopuseid_2-s2.0-85051736301-
dc.identifier.volume124-
dc.identifier.issue7-
dc.identifier.spagearticle no. 073901-
dc.identifier.epagearticle no. 073901-
dc.identifier.eissn1089-7550-
dc.identifier.isiWOS:000442423800010-

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